ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate

C10H13N5O5S — CID 103836980

IUPACethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C10H13N5O5S/c1-2-19-10(16)7-5-12-15-9(7)21(17,18)14-4-3-8-11-6-13-20-8/h5-6,14H,2-4H2,1H3,(H,12,15)
InChIKeyRZVCQXXSLKIBME-UHFFFAOYSA-N
MW315.31 g/mol
LogP-0.51
Rot. Bonds7

About ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 103836980) has the molecular formula C10H13N5O5S and a molecular weight of 315.31 g/mol. Its IUPAC name is ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID103836980
Molecular FormulaC10H13N5O5S
Molecular Weight315.31 g/mol
Exact Mass315.06
IUPAC Nameethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C10H13N5O5S/c1-2-19-10(16)7-5-12-15-9(7)21(17,18)14-4-3-8-11-6-13-20-8/h5-6,14H,2-4H2,1H3,(H,12,15)
InChIKeyRZVCQXXSLKIBME-UHFFFAOYSA-N
XLogP-0.51
TPSA140.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate (CID 103836980) is ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NCCc1ncno1.
What is the InChIKey of ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is RZVCQXXSLKIBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O5S/c1-2-19-10(16)7-5-12-15-9(7)21(17,18)14-4-3-8-11-6-13-20-8/h5-6,14H,2-4H2,1H3,(H,12,15).
What are the key properties of ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 315.31 g/mol, XLogP of -0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 103836980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).